Vitamin B12
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| Category | Raw Materials of Healthcare Products |
| Catalog number | BBF-05820 |
| CAS | 68-19-9 |
| Molecular Weight | 1355.36 |
| Molecular Formula | C63H88CoN14O14P |
| Purity | >98% |
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Description
Vitamin B12 is a water-soluble vitamin with a key role in the normal functioning of the brain and nervous system, and for the formation of blood.
Specification
| Synonyms | 5,6-Dimethyl-1-(3-O-phosphono-α-D-ribofuranosyl)-1H-benzimidazole Monoester Cobinamide Cyanide Inner Salt; 5,6-Dimethylbenzimidazolyl Cyanocobamide; 5,6-Dimethylbenzimidazolyl-Co-cyanocobamide; Anacobin; Antipernicin; Apikobal; B-Twelve; B-Twelve Ora; Bedodeka; Bedoz; Behepan; Berubi; Berubigen; Dobetin; Docemine; Docibin; Poyamin; Rebramin; Redamina; Vitarubin; Vitral; Cyanocobalamin; Docigram; NSC 80365; NSC-80365; NSC80365; Norethisterone |
| Storage | Store at -20°C under inert atmosphere |
| IUPAC Name | cobalt(3+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl]propanoylamino]propan-2-yl] phosphate;cyanide |
| Canonical SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3] |
| InChI | InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1./s1 |
| InChI Key | FDJOLVPMNUYSCM-WZHZPDAFSA-L |
| Source | Produced by bacteria, cobalamins (hydroxocobalamin and cyanocobalamin) are analogs of vitamin B12 that differ only in the beta-ligand of the cobalt; Found in fish, meat, liver, and dairy products, but not in plants; Also occur naturally in soil, water, activated sewage sludge, and manure. |
Properties
| Appearance | Red Solid |
| Application | Ingredient of health care products. |
| Boiling Point | > 300 |
| Melting Point | >133°C (dec.) |
| Solubility | Soluble in DMSO (Slightly), Methanol (Sparingly), Water (Slightly) |
| LogP | 5.61808 |
Toxicity
| Carcinogenicity | 2B, possibly carcinogenic to humans. |
| Mechanism Of Toxicity | Vitamin B12 is used in the body in two forms: Methylcobalamin and 5-deoxyadenosyl cobalamin. The enzyme methionine synthase needs methylcobalamin as a cofactor. This enzyme is involved in the conversion of the amino acid homocysteine into methionine. Methionine in turn is required for DNA methylation. 5-Deoxyadenosyl cobalamin is a cofactor needed by the enzyme that converts L-methylmalonyl-CoA to succinyl-CoA. This conversion is an important step in the extraction of energy from proteins and fats. Furthermore, succinyl CoA is necessary for the production of hemoglobin, the substances that carries oxygen in red blood cells. |
| Toxicity | ORL-MUS LD50 > 8000 mg/kg. |
Reference Reading
1.Vitamin B-12 Concentrations in Breast Milk Are Low and Are Not Associated with Reported Household Hunger, Recent Animal-Source Food, or Vitamin B-12
Williams AM1, Chantry CJ1, Young SL2, Achando BS3, Allen LH4, Arnold BF5, Colford JM Jr5, Dentz HN6, Hampel D4, Kiprotich MC3, Lin A5, Null CA7, Nyambane GM3, Shahab-Ferdows S8, Stewart CP9. J Nutr. 2016 Apr 13. pii: jn228189. [Epub ahead of print]
BACKGROUND: Breast milk vitamin B-12 concentration may be inadequate in regions in which animal-source food consumption is low or infrequent. Vitamin B-12 deficiency causes megaloblastic anemia and impairs growth and development in children.
2.Vitamin B12 Phosphate Conjugation and Its Effect on Binding to the Human B12 -Binding Proteins Intrinsic Factor and Haptocorrin.
Ó Proinsias K1, Ociepa M1, Pluta K1, Chromiński M1, Nexo E2, Gryko D3. Chemistry. 2016 Apr 27. doi: 10.1002/chem.201504898. [Epub ahead of print]
The binding of vitamin B12 derivatives to human B12 transporter proteins is strongly influenced by the type and site of modification of the cobalamin original structure. We have prepared the first cobalamin derivative modified at the phosphate moiety. The reaction conditions were fully optimized and its limitations examined. The resulting derivatives, particularly those bearing terminal alkyne and azide groups, were isolated and used in copper-catalyzed alkyne-azide cycloaddition reactions (CuAAC). Their sensitivity towards light revealed their potential as photocleavable molecules. The binding abilities of selected derivatives were examined and compared with cyanocobalamin. The interaction of the alkylated derivatives with haptocorrin was less affected than the interaction with intrinsic factor. Furthermore, the configuration of the phosphate moiety was irrelevant to the binding process.
3.Causes of vitamin B12 deficiency.
Belghith A, Mahjoub S, Ben Romdhane N. Tunis Med. 2015 Nov;93(11):678-82.
BACKGROUND: B12 Vitamin deficiency is common in adults (20% of general population of industrialized populations), especially in elderly patients (30-40%). The etiologies of Vitamin B12 deficiency have been dominated by the cobalamin syndrome nutrient and the Biermer disease, rarely by the intake or nutritional deficiency and bad absorptions.
Spectrum
Predicted LC-MS/MS Spectrum - 10V, Positive
Experimental Conditions
Ionization Mode: Positive
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C63H88CoN14O14P
Molecular Weight (Monoisotopic Mass): 1354.5674 Da
Molecular Weight (Avergae Mass): 1355.3652 Da
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
Molecular Formula: C63H88CoN14O14P
Molecular Weight (Monoisotopic Mass): 1354.5674 Da
Molecular Weight (Avergae Mass): 1355.3652 Da
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
